N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide

C22H26ClN3O2 — CID 109090207

IUPACN-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
SMILESCCC1CCCCN1C(=O)c1cc(C(=O)NCCc2cccc(Cl)c2)ccn1
InChIInChI=1S/C22H26ClN3O2/c1-2-19-8-3-4-13-26(19)22(28)20-15-17(10-12-24-20)21(27)25-11-9-16-6-5-7-18(23)14-16/h5-7,10,12,14-15,19H,2-4,8-9,11,13H2,1H3,(H,25,27)
InChIKeyLOIAIXIWPGHQKE-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.11
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide

N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide (PubChem CID 109090207) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
PubChem CID109090207
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
SMILESCCC1CCCCN1C(=O)c1cc(C(=O)NCCc2cccc(Cl)c2)ccn1
InChIInChI=1S/C22H26ClN3O2/c1-2-19-8-3-4-13-26(19)22(28)20-15-17(10-12-24-20)21(27)25-11-9-16-6-5-7-18(23)14-16/h5-7,10,12,14-15,19H,2-4,8-9,11,13H2,1H3,(H,25,27)
InChIKeyLOIAIXIWPGHQKE-UHFFFAOYSA-N
XLogP4.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109088184
N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109055680
4-N-[2-(3-chlorophenyl)ethyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078681
[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109161654
2-(2-ethylpiperidine-1-carbonyl)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109086886
4-(2-ethylpiperidine-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047836
N-(4-ethylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090223
N-[2-(3-chlorophenyl)ethyl]-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166354
4-N-butan-2-yl-2-N-[2-(3-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109080015
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
2-N-[2-(3-chlorophenyl)ethyl]-4-N,4-N-diethylpyridine-2,4-dicarboxamide
CID 109088785
3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050358

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide (CID 109090207) is N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide is CCC1CCCCN1C(=O)c1cc(C(=O)NCCc2cccc(Cl)c2)ccn1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The InChIKey is LOIAIXIWPGHQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-2-19-8-3-4-13-26(19)22(28)20-15-17(10-12-24-20)21(27)25-11-9-16-6-5-7-18(23)14-16/h5-7,10,12,14-15,19H,2-4,8-9,11,13H2,1H3,(H,25,27).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide has a molecular weight of 399.92 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109090207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).